Cyclohexane

Cyclohexane

SCHEMBL5504152

C1CCCCC1.O=C=NCC1(CN=C=O)CCCC(CN=C=O)(CN=C=O)C1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11372109 0.98 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL1758459 0.90 ALDH1A1 (0.32) ALDH1A1CYP3A4
Cyclohexane SCHEMBL5495897 0.85 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL2641676 0.84 ALDH1A1 (0.30) ALDH1A1CYP3A4
Cyclohexane SCHEMBL5450052 0.82
SCHEMBL48705 0.82
SCHEMBL4209010 0.80
SCHEMBL10613754 0.79
Alcohol SCHEMBL8653858 0.79 ALDH1A1 (0.31) ALDH1A1CYP3A4
SCHEMBL7650373 0.79

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789465-A1 EMULSIFIABLE POLYISOCYANATE Dow Gloval Technologies Inc. (US) 2007-05-30 EP disclosed
WO-2006029140-A9 EMULSIFIABLE POLYISOCYANATE DOW GLOBAL TECHNOLOGIES INC (US) 2006-07-06 WO disclosed
WO-2006029140-A1 EMULSIFIABLE POLYISOCYANATE DOW GLOBAL TECHNOLOGIES INC. (US) 2006-03-16 WO disclosed
EP-1599526-A1 PREPARATION OF ISOCYANURATE GROUP CONTAINING POLYISOCYANATE MIXTURES DOW GLOBAL TECHNOLOGIES INC. (US) 2005-11-30 EP disclosed
EP-1560865-A1 POLYURETHANE COMPOUNDS AND ARTICLES PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2005-08-10 EP disclosed
WO-2004078820-A1 PREPARATION OF ISOCYANURATE GROUP CONTAINING POLYISOCYANATE MIXTURES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-16 WO disclosed
WO-2004041890-A9 POLYURETHANE DISPERSION AND ARTICLES PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2004-07-22 WO disclosed
WO-2004041899-A1 POLYURETHANE COMPOUNDS AND ARTICLES PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-05-21 WO disclosed